container_hkl.h

//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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#ifndef CLIPPER_CONTAINER_HKL
#define CLIPPER_CONTAINER_HKL


#include "container_types.h"
#include "hkl_data.h"


namespace clipper
{

  extern const HKL_info NullHKL_info;  //<! null instance



  class CHKL_info : public Container, public HKL_info
  {
  public:
    CHKL_info( const String name = "",
               const Spacegroup& spacegroup = NullSpacegroup,
               const Cell& cell = NullCell,
               const Resolution& resolution = NullResolution,
               const bool& generate = false );
    CHKL_info( Container& parent, const String name = "",
               const bool& generate = false );
    void init( const Spacegroup& spacegroup, const Cell& cell,
               const Resolution& resolution, const bool& generate = false );

    void generate_hkl_list();    
    void update();
  private:
    bool generate_;  
  };



  template<class T> class CHKL_data : public Container, public HKL_data<T>
  {
  public:
    CHKL_data() {}
    CHKL_data( Container& parent, const String name = "" );
    void init( const HKL_info& hkl_info, const Cell& cell );
    void init( const Spacegroup& spacegroup, const Cell& cell, const HKL_sampling& hkl_sampling ) { clipper::Message::message( clipper::Message_fatal("CHKL_data deprecated") ); }
    void update();

    HKL_data<T>& operator =( const HKL_data<T>& other )
      { return ( dynamic_cast<HKL_data<T>&>(*this) = other ); }
    HKL_data<T>& operator =( const T& value )
      { return ( dynamic_cast<HKL_data<T>&>(*this) = value ); }
  };


  // template implementations


  template<class T> CHKL_data<T>::CHKL_data( Container& parent, const String name ) : Container( parent, name )
  {
    init( NullHKL_info, NullCell );
  }


  template<class T> void CHKL_data<T>::init( const HKL_info& hkl_info, const Cell& cell )
  {
    // use supplied values by default
    const HKL_info* hp = &hkl_info;
    const Cell* cp = &cell;
    // otherwise get them from the tree
    if ( hp->is_null() ) hp = parent_of_type_ptr<const HKL_info>();
    if ( cp->is_null() ) cp = parent_of_type_ptr<const Cell>();
    // if we have an hkl_info, try and init
    if ( hp != NULL ) {
      // if no cell then inherit
      if ( cp == NULL ) cp = &(hp->cell());
      // now initialise
      if ( !hp->is_null() && !cp->is_null() )
        HKL_data<T>::init( *hp, *cp );
    }
    Container::update();
  }


  template<class T> void CHKL_data<T>::update()
  {
    if ( HKL_data_base::is_null() )
      init( NullHKL_info, NullCell );
    else
      Container::update();
    HKL_data<T>::update();
  }


} // namespace clipper

#endif